Cas no 121776-78-1 (Benzene,1,2,3,5-tetramethyl-4-nitroso-)
121776-78-1 structure
Product Name:Benzene,1,2,3,5-tetramethyl-4-nitroso-
CAS No:121776-78-1
MF:C10H13NO
MW:163.216322660446
CID:133433
PubChem ID:45121163
Update Time:2025-04-19
Benzene,1,2,3,5-tetramethyl-4-nitroso- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1,2,3,5-tetramethyl-4-nitroso-
- 1,2,3,5-tetramethyl-4-nitrosobenzene
- Benzene, 1,2,3,5-tetramethyl-4-nitroso-
- 121776-78-1
- DTXSID70669148
-
- Inchi： 1S/C10H13NO/c1-6-5-7(2)10(11-12)9(4)8(6)3/h5H,1-4H3
- InChI Key： COUUPXBRSFOUIK-UHFFFAOYSA-N
- SMILES： O=NC1=C(C)C=C(C)C(C)=C1C
Computed Properties
- Exact Mass: 331.28771
- Monoisotopic Mass: 163.1
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 169
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 29.4A^2
- XLogP3: 2.8
Experimental Properties
- PSA: 29.43
Benzene,1,2,3,5-tetramethyl-4-nitroso- Related Literature
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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